propanecarboxylate

Buttersaeure

Propanecarboxylic acid

butanate

butanoate

butyrate

FERIUCNNQQJTOY-UHFFFAOYSA-N

propylformic acid

1-propanecarboxylate

acide butanoique

acide butyrique

Ethyacetic Acid

ethylacetic acid

Kyselina maselna

butanoic acid

BUA

Butanic acid

butoic acid

butyric acid

BUTYRIC_ACID

Honey robber

NATURAL BUTYRIC ACID

1-propanecarboxylic acid

1ugp

3umq

AC1Q2UNL

ethyl acetic acid

Sodium n-butyrate

1-butanoate

1-butyrate

2-butanoate

Butyric acid, analytical standard

n-Butanoic acid

n-Butyric acid

Buttersaeure [German]

Butyrate, sodium salt

1-butanoic acid

AC1L18UM

1-Butyric acid

n-C3H7COOH

Nat. Butyric Acid

GTPL1059

Kyselina maselna [Czech]

ACMC-1C12J

Butyric acid (natural)

CHEMBL14227

NSC8415

TNFa + Sodium Butyrate

UN2820

40UIR9Q29H

B0754

BDBM26109

butanoic acid, 4

Butyric Acid (Normal)

C4:0

CTK0H6694

HMDB00039

HSDB 940

TNFa + NaBut

V2319

WLN: QV3

Butyric acid, >=99%

DB03568

LS-443

RL00334

bmse000402

C00246

CCRIS 6552

LTBB001653

UNII-40UIR9Q29H

ZINC895132

DTXSID8021515

FEMA Number 2221

LP066716

N-butyric acid, ethyl acetic acid

NSC 8415

NSC-8415

OR034221

OR199535

OR253313

STL169349

UN 2820

CHEBI:30772

DSSTox_CID_1515

PROPYL, 3-CARBOXY-

AN-42840

ANW-15867

BP-21420

CCG-35836

DSSTox_GSID_21515

KB-48536

NCIMech_000707

SC-11907

DSSTox_RID_76192

LMFA01010004

MFCD00002814

AI3-15306

RTR-001881

TR-001881

AKOS000118961

Butyric acid, >=99%, FG

W-108732

Bio1_000444

Bio1_000933

Bio1_001422

BRN 0906770

FEMA No. 2221

FT-0623295

FT-0686717

C4:0 (Lipid numbers)

CH3-[CH2]2-COOH

I14-10596

Z955123634

NCI60_001424

Tox21_202382

Tox21_300164

107-92-6

F2191-0094

1977-33-9

MCULE-4116382006

NCGC00247914-01

NCGC00247914-02

NCGC00253919-01

NCGC00259931-01

Butyric acid, 99% 100ml

CAS-107-92-6

EINECS 203-532-3

Butyric acid, SAJ special grade, >=99.5%

Butyric acid [UN2820] [Corrosive]

Butyric acid, natural, >=99%, FCC, FG

MolPort-001-769-669

24113-EP2272827A1

24113-EP2275401A1

24113-EP2281819A1

24113-EP2284146A2

24113-EP2284147A2

24113-EP2292611A1

24113-EP2292619A1

24113-EP2298763A1

24113-EP2298772A1

24113-EP2305633A1

24113-EP2305659A1

24113-EP2305808A1

24113-EP2308839A1

24113-EP2311810A1

24113-EP2311818A1

24113-EP2311825A1

24113-EP2311840A1

24113-EP2314590A1

24113-EP2380661A2

31560-EP2292597A1

31560-EP2295053A1

31560-EP2308858A1

31560-EP2311816A1

31560-EP2311817A1

81544-EP2275407A1

81544-EP2305687A1

81544-EP2305808A1

81544-EP2305825A1

Butyric acid [UN2820] [Corrosive]

butanoic acid, butanic acid, n-butyric acid, ethylacetic acid, propylformic acid, 1-propanecarboxylic acid

4-02-00-00779 (Beilstein Handbook Reference)

9B27B3D0-9643-40EC-9A5F-7CA1A6ED7F9F

InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6

The Henry's Law constant for n-butanoic acid is measured as 5.35X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that n-butanoic acid is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 64 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 471 days(SRC). A pKa of 4.82(3) indicates n-butanoic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(4). n-Butanoic acid's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Butanoic acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.65 mm Hg(5).
Literature: (1) Butler JAV, Ramchandani CN; The Solubility of Non-Electrolytes. Part 2. J Chem Soc pp. 1952-5 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2 pp. 1325 (1986) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (5) Lide DR, ed; CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press (1995)

The Koc of n-butanoic acid is estimated as 64(SRC), using a log Kow of 0.79(1) and a regression-derived equation(2). Experimental Koc values for n-butanoic acid on a clastic mud (3.5% organic carbon), a lateritic muddy sand (1.3% organic carbon), and a fine carbonate sand (0.17% organic carbon) were 19.1, 27.6, and 14.7, respectively(3). According to a classification scheme(4), these estimated and experimental Koc values suggest that n-butanoic acid is expected to have very high to high mobility in soil. The percent of n-butanoic acid sorbed to a kalonite or montmorillonite clay at 22 deg C was 14.0% and 19.9% after 48 hours, respectively, which increased to 31.4% and 24.2%, respectively, after 144 hours(5). In a field study in which 100 ppm n-butanoic acid was injected underground, the retardation, relative to the linear ground-water velocity, was calculated to be 3%(6). N-butanoic acid is listed as a compound displaying an L-type adsorption isotherm, indicating that specific binding sites may be involved(7). Experimental studies in indicate that adsorption of n-butanoic acid to moist soil is dominated by attractive forces between the compound and soil and not by hydrophobic interactions(8). The pKa of n-butanoic acid is 4.82(9), indicating that this compound will primarily exist in the anion in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(10).
Literature: (1) Sansone FJ et al; Geochim Cosmochim Acta 51: 1889-96 (1987) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Hemphill L et al; Proc 18th Indust Waste Conf 18: 204-17 (1964) (4) Sutton PA, Barker JF; Ground Water 23: 10-6 (1985) (5) Weber JB, Miller CT; Reactions and Movement of Organic Chemicals in Soils, SSSA Spec Publ No. 22: 305-33 (1989) (6) Ulrich H et al; Env Sci Tech 22: 37-41 (1988) (7) Riddick JA et al; Organic Solvents. Techniques of Chemistry 4th ed. New York, NY, Wiley-Interscience 2:pp. 1325 (1986) (8) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Dimethylacetate

Isobuttersaeure

Isobutyricacid

alpha-Methylpropanoate

alpha-Methylpropionate

Isobutanoate

Dimethylacetic acid

Isobutyrate

Isopropylformic acid

Kyselina isomaselna

methylpropionic acid

a-Methylpropanoate

a-Methylpropionate

alpha-Methylpropanoic acid

alpha-Methylpropionic acid

KQNPFQTWMSNSAP-UHFFFAOYSA-N

2-Methylpropionsaeure

Isobutanoic acid

ISOBUTYRIC ACID

isopropyl carboxylic acid

a-Methylpropanoic acid

a-Methylpropionic acid

NATURAL ISOBUTYRIC ACID

alpha-isobutyric acid

ALQ

ISB

iso-Butyrate

2-Propanecarboxylic acid

i-butyrate

Isobutyric acid, analytical standard

Nat.Isobutyric Acid

1iup

2-Methylpropanoic acid

2-Methylpropionic acid

AC1L1MVA

AC1Q5RPW

Iso-butyric acid

i-Butyric acid

.alpha.-Methylpropanoic acid

.alpha.-Methylpropionic acid

iso-C3H7COOH

2-methyl propanoic acid

2-methyl-propanoic acid

2-METHYL-PROPIONIC ACID

Kyselina isomaselna [Czech]

AC1Q1O87

Cenex RP b2

GTPL1060

Isobutyric acid (natural)

K400

KSC489M7N

Tenox EBP 2

Tenox IBP 2

Tenox IBP-2

2,2-dimethylacetic acid

Acetic acid, dimethyl-

UN2529

CTK3I9676

HMDB01873

I0103

2-Methyl Propionic Acic, Natural

ACMC-209ph0

CHEMBL108778

DB02531

Isobutyric acid, 99%

Methylpropanoic acid, 2-

NSC62780

Propanoic acid,2-methyl-

RP18490

WLN: QVY1&1

8LL210O1U0

bmse000439

C02632

HSDB 5228

ZINC901420

BBL011415

DTXSID4021636

Isobutyric acid, certified reference material, TraceCERT(R)

LS-2857

OR034208

OR249586

OR281996

OR342159

STL146521

Tenox IBP-2 Grain Pr

UN 2529

CHEBI:16135

DSSTox_CID_1636

UNII-8LL210O1U0

AN-23989

ANW-37282

Caswell No. 503AA

DSSTox_GSID_21636

KB-77935

NSC 62780

NSC-62780

Propanoic acid, 2-methyl-

Propionic acid, 2-methyl-

SC-23341

BB_SC-6843

DSSTox_RID_76250

LMFA01020071

MFCD00002658

AI3-24260

RTR-032122

Tenox IBP-2 Grain Pr.

TR-032122

AKOS000118733

EPA Pesticide Chemical Code 101502

BRN 0635770

FEMA No. 2222

FT-0625068

79-31-2

I14-10607

Z955123672

ETHYL, 1-CARBOXY-1-METHYL-

Tox21_201207

F2191-0099

PROPOXY, 2-METHYL-1-OXO-

CAS-79-31-2

Isobutyric acid, >=99%, FCC, FG

2597-39-9

MCULE-7783770647

NCGC00248957-01

NCGC00258759-01

EINECS 201-195-7

Isobutyric acid [UN2529] [Flammable liquid]

Isobutyric acid, natural, >=99%, FCC, FG

MolPort-001-783-185

996-30-5 (hydrochloride salt)

11047-EP2269610A2

11047-EP2270003A1

11047-EP2272841A1

11047-EP2275401A1

11047-EP2277848A1

11047-EP2289510A1

11047-EP2295055A2

11047-EP2298763A1

11047-EP2298772A1

11047-EP2308839A1

11047-EP2308858A1

11047-EP2311453A1

11047-EP2311816A1

11047-EP2311817A1

11047-EP2311822A1

11047-EP2316457A1

11047-EP2316458A1

11047-EP2316825A1

11047-EP2316826A1

11047-EP2316827A1

11047-EP2316828A1

11047-EP2371803A1

11047-EP2374538A1

11047-EP2374787A1

11047-EP2377843A1

88696-EP2287158A1

88696-EP2289876A1

88696-EP2295411A1

88696-EP2298777A2

88696-EP2305825A1

Isobutyric acid [UN2529] [Flammable liquid]

533-90-4 (calcium salt)

19455-20-0 (potassium salt)

22228-82-6 (ammonium salt)

Isobutyric acid, puriss. p.a., >=99.5%

4-02-00-00843 (Beilstein Handbook Reference)

InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6

A pKa of 4.84(1) indicates isobutyric acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces and moist soil is not expected to be an important fate process(2). Isobutyric acid is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.81 mm Hg(3).
Literature: (1) Kortum G et al; Dissociation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry. London: Butterworth (1961) (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

The Koc of isobutyric acid is estimated as 77(SRC), using a log Kow of 0.94(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isobutyric acid is expected to have high mobility in soil. The pKa of isobutyric acid is 4.84(4), indicating that this compound will exist almost entirely in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Kortum G et al; Dissociation Constants of Organic Acids in Aqueous Solution. International Union of Pure and Applied Chemistry. London: Butterworth (1961) (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Butanecarboxylate

Valeriansaeure

Butanecarboxylic acid

Valeriansaure

Valerianate

VALERICACID

Kyselina valerova

NQPDZGIKBAWPEJ-UHFFFAOYSA-N

pentoate

Propylacetic acid

Valerate

Valerianic acid

1-Butanecarboxylate

PENTANOIC ACID

n-Pentanoate

pentoic acid

SHF

Valeric acid

1-Butanecarboxylic acid

n-Valerate

Pentanoic acid Valeric acid

Valeric acid normal

Valeric acid, pharmaceutical impurity standard

1-pentanoate

1ylv

n-BuCOOH

n-Pentanoic acid

n-Valeric acid

Valeric acid, analytical standard

GZK92PJM7B

1-pentanoic acid

AC1L1Q0L

Butane-1-carboxylic acid

Valeric acid, normal

n-C4H9COOH

SCHEMBL5886

UNII-GZK92PJM7B

GTPL1061

I841

KSC175S1B

Kyselina valerova [Czech]

ACMC-1B6Z8

C5:0

CTK0H5910

HMDB00892

WLN: QV4

CHEMBL268736

DB02406

Valeric acid, >=99%

bmse000345

C00803

HMS2267A03

HSDB 5390

Valeric acid, 99%

VALERIC ACID, N-

DTXSID7021655

LP066955

LS-3150

NSC406833

OR034483

OR282300

SBB053585

STL169350

BUTYL, 4-CARBOXY-

CHEBI:17418

DSSTox_CID_1655

AN-22558

ANW-16061

DSSTox_GSID_21655

KB-62217

SC-26694

TRA0071227

DSSTox_RID_76267

LMFA01010005

MFCD00004413

ZINC31500905

AI3-08657

NSC 406833

NSC-406833

RTR-002061

ST51046708

TR-002061

AKOS000118960

I04-1052

J-002298

Valeric acid ( Pentanoic acid )

BRN 0969454

FEMA No. 3101

FT-0651620

FT-0694066

FT-0695354

MLS001066335

SMR000471834

CH3-[CH2]3-COOH

Z955123768

Tox21_113414

Tox21_201561

Tox21_303030

109-52-4

F2191-0105

MCULE-2333640078

NCGC00183281-01

NCGC00183281-02

NCGC00256597-01

NCGC00259110-01

CAS-109-52-4

EINECS 203-677-2

Valeric acid, >=99%, FCC, FG

Valeric acid, 99% 100ml

12124-87-7

64118-37-2

MolPort-001-780-113

66993-EP2298772A1

66993-EP2305687A1

66993-EP2308839A1

66993-EP2374787A1

6106-41-8 (hydrochloride salt)

120630-EP2275401A1

120630-EP2284146A2

120630-EP2284147A2

120630-EP2298763A1

120630-EP2371805A1

556-38-7 (zinc salt)

19455-21-1 (potassium salt)

42739-38-8 (ammonium salt)

4-02-00-00868 (Beilstein Handbook Reference)

70268-41-6 (manganese(+2) salt)

InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7

The Henry's Law constant for n-pentanoic acid is 4.72X10-7 atm-cu m/mole(1). This Henry's Law constant indicates that n-pentanoic acid is expected to be essentially nonvolatile from water surfaces(2). Volatilization of the ionized form from water surfaces is not expected to be an important fate process(SRC). Pentanoic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.96X10-1 mm Hg(3).
Literature: (1) Khan I et al; J Atmos Chem 22:285-302 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

The Koc of n-pentanoic acid is estimated as 140(SRC), using a log Kow of 1.39(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-pentanoic acid is expected to have high mobility in soil. In aqueous solution, n-pentanoic acid adsorbed 15.4 and 37.9% onto the clay minerals kaolinite and montmorillonite, respectively, after 144 hours at 22 deg C(4). The pKa of n-pentanoic acid is 4.84(5), indicating that this compound will partially exist in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(6).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Stearic Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983) (4) Hemphill L, Swanson WS; Sorption of Organic Acids by Pure Clay Minerals in Aqueous Solution, Proc of the 18th Industrial Waste Conf, Eng Bull Purdue U, Lafayette, IN 18: 204-17 (1964) (5) Dean JA; Handbook of Organic Chemistry; New York, NY: McGraw-Hill, Inc pp. 8-45 (1987) (6) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Pentanecarboxylic acid

pentylformate

capronate

FUZZWVXGSFPDMH-UHFFFAOYSA-N

hexylate

Kyselina kapronova

Pentylformic acid

1-pentanecarboxylate

Butylacetic acid

Pentiformic acid

Capronic acid

HEXANOIC ACID

Caproic acid

Hexoic acid

Hexylic acid

1-Pentanecarboxylic acid

5-carboxypentyl

hexansäure

n-caproate

n-hexoate

n-hexylate

AC1Q2VOK

Hexanoic acid Caproic acid

Hexanoic acid, analytical standard

Nat.Hexanoic Acid

1-hexanoate

ACMC-1BTHO

n-Caproic acid

n-Hexanoic acid

n-Hexylic acid

n-Hexoic acid

1-Hexanoic acid

AC1L1RW7

Acid C6

Pentane-1-carboxylic acid

Kyselina kapronova [Czech]

methyl 5-pentanoic acid

SCHEMBL3867

ethyl 4-butanoic acid

KSC177A6N

M557

CHEMBL14184

Hexacid 698

Hexanoic acid (natural)

NSC8266

UN2829

1F8SN134MX

BDBM16433

C6:0

CTK0H7066

HMDB00535

WLN: QV5

hexanoic acid (caproic acid)

Hexanoic acid, >=99%

RP19238

5-Carboxypentyl-Sepharose® 4B N-succinimidyl ester

bmse000351

C01585

CCRIS 1347

CH3(CH2)4COOH

Hexanoic acid, 99%

HSDB 6813

UNII-1F8SN134MX

AN-1410

DTXSID7021607

LP071647

LP097943

LS-2796

NSC 8266

NSC-8266

SBB053586

(C6-C12)Alkylcarboxylic acid

CHEBI:30776

DSSTox_CID_1607

Fatty Acid 1210

ZINC1529230

ANW-20709

DSSTox_GSID_21607

HEXANOIC ACID (CAPROIC ACID)

TRA0069554

DSSTox_RID_76233

LMFA01010006

MFCD00004421

AI3-07701

NCIOpen2_005355

RTR-035704

ST51046281

TR-035704

(C5-C9) Monobasic acids

(C6-C12) Alkylcarboxylic acid

AKOS000119844

I04-1053

J-007673

BRN 0773837

FEMA No. 2559

FT-0659402

C6:0 (Lipid numbers)

CH3-[CH2]4-COOH

Z955123566

Tox21_201517

Tox21_300406

142-62-1

Hexanoic acid, natural, >=98%, FCC

8040-17-3

Hexanoic acid, >=98%, FCC, FG

MCULE-1671810139

NCGC00248020-01

NCGC00248020-02

NCGC00254504-01

NCGC00259067-01

CAS-142-62-1

EINECS 205-550-7

EINECS 267-013-3

EINECS 271-676-4

EINECS 274-509-3

51109-46-7

53896-26-7

68603-84-9

70248-25-8

Caproic acid [UN2829] [Corrosive]

Hexanoic acid, natural, >=98%, FCC, FG

MolPort-001-769-761

11034-EP2269610A2

11034-EP2270002A1

11034-EP2277848A1

11034-EP2284146A2

11034-EP2284147A2

11034-EP2289510A1

11034-EP2298313A1

11034-EP2316457A1

11034-EP2316458A1

11034-EP2316825A1

11034-EP2316826A1

11034-EP2316827A1

11034-EP2316828A1

16407-EP2275401A1

16407-EP2281563A1

16407-EP2284160A1

16407-EP2289890A1

16407-EP2305646A1

16407-EP2305687A1

16407-EP2311824A1

16407-EP2311842A2

16407-EP2316459A1

16407-EP2374787A1

16420-EP2275401A1

16420-EP2281563A1

16420-EP2289890A1

16420-EP2305646A1

16420-EP2311842A2

16420-EP2316459A1

Caproic acid [UN2829] [Corrosive]

Hexanoic acid, purum, >=98.0% (GC)

19455-00-6 (potassium salt)

10051-44-2 (sodium salt)

38708-95-1 (calcium salt)

4-02-00-00917 (Beilstein Handbook Reference)

25401AB4-1ECB-481F-AC91-EAAFC9329BDD

16571-42-9 (manganese(2+) salt)

13476-79-4 (copper(2+) salt)

Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-

InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8

The pKa of hexanoic acid is 4.88(1), indicating that this compound will exist predominantly as an anion under environmental conditions. Volatilization will not occur from water and moist soils since anions do not volatilize(SRC). Hexanoic acid is not expected to volatilize from dry soil surfaces(SRC), based upon an extrapolated vapor pressure of 0.0435 mm Hg at 25 deg C(2).
Literature: (1) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985)(2) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals: Data Compilation, NY: Hemisphere Pub Corp (1989)

Koc values of 26, 24 and 37 have been experimentally measured, for an acidic forest soil (pH 2.8, 4.85% organic carbon), agricultural soil (pH 6.7, 1.25% organic carbon), and a lake sediment (pH 7.1, 1.58% organic carbon), respectively(1). According to a classification scheme(2), these measured Koc values suggest that hexanoic acid is very highly mobile in soil(SRC). In addition, the pKa of hexanoic acid is 4.88(3), indicating that this compound will primarily exist as an anion in the environment, and anions generally possess high mobility in soil(4).
Literature: (1) Von Oepen B et al; Chemosphere 22: 285-304 (1991) (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Riddick, JA et al;. Techniques of Chemistry 4th ed Volume II. Organic Solvents. New York, NY: John Wiley and Sons, pp 372 (1985) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Isovaleriansaeure

Isovalericacid

Isovalerianic

Isobutylformic acid

Isopropylacetic acid

isovalerate

Kyselina isovalerova

METHYLBUTANOIC ACID

GWYFCOCPABKNJV-UHFFFAOYSA-N

Isopentanoic acid

Isovalerianic acid

3-Methylbuttersaeure

b-Methylbutyrate

ISOVALERIC ACID

beta-Methylbutyric acid

Delphinic acid

NATURAL ISOVALERIC ACID

3-Methylbutyrate

b-Methylbutyric acid

Isobutyl formic acid

IVA

methyl butanoic acid

3-Methylbutyric

Isovaleric acid, analytical standard

3-Methylbutanoic acid

3-Methylbutyric acid|

iso-valeric acid

3-Methylbutyric acid

ACMC-1BMPI

Isopropyl Acetic Acid, natural

AC1L1V6N

iso-C4H9COOH

Kyselina isovalerova [Czech]

Methylbutanoic acid (Related)

3-methyl-butanoic acid

3,4-Diisovaleryl adrenaline

.beta.-Methylbutyric acid

3-methyl butyric acid

3-methyl-butyric acid

3-Methylbutyric acid: isopropyl-Acetate

AC1Q1P73

Isovaleric acid (natural)

KSC489M7P

S153

Acetic acid, isopropyl-

SCHEMBL43436

3-Methylbutyric acid: isopropyl-Acetic acid

CTK3I9677

HMDB00718

HSDB 629

3-methyl-n-butyric acid

CHEMBL568737

DB03750

Isovaleric acid, 99%

NSC62783

RP18769

STR08356

1BR7X184L5

bmse000373

C08262

ZINC388188

AK116943

BBL027399

BC677309

DTXSID5029182

LS-2386

OR025022

OR111348

OR376668

OR376669

STL146358

WLN: QV1Y1&1

CHEBI:28484

DSSTox_CID_9182

UNII-1BR7X184L5

AJ-20479

AN-21437

ANW-30978

Butanoic acid, 3-methyl-

DSSTox_GSID_29182

Isovaleric acid sodium salt (Salt/Mix)

KB-52997

NSC 62783

NSC-62783

SC-27287

TRA0072843

BB_NC-2309

Butyric acid, 3-methyl-

DSSTox_RID_78698

LMFA01020181

MFCD00002726

AI3-24132

FEMA Number: 3102

RTR-018005

ST24028594

TR-018005

AKOS000119861

J-522594

BRN 1098522

FEMA No. 3102

FT-0627533

I14-10601

Z955123492

Isovaleric acid, natural, >=98%, FG

Tox21_201604

503-74-2

F2191-0067

NA 1760 (Related)

Isovaleric acid, >=99%, FCC, FG

MCULE-5805071360

NCGC00249082-01

NCGC00259153-01

CAS-503-74-2

EINECS 207-975-3

35915-22-1

7050-EP2286915A2

7050-EP2287153A1

7050-EP2289892A1

7050-EP2292590A2

7050-EP2295417A1

7050-EP2301934A1

7050-EP2305656A1

7050-EP2305675A1

7050-EP2308509A1

7050-EP2308828A2

7050-EP2308848A1

7050-EP2308872A1

7050-EP2314585A1

7050-EP2316829A1

7050-EP2374791A1

MolPort-000-871-620

31567-EP2275401A1

31567-EP2277861A1

31567-EP2298763A1

31567-EP2308858A1

31567-EP2311816A1

31567-EP2311817A1

31567-EP2374790A1

66994-EP2298772A1

66994-EP2308839A1

Butanoic acid, 3-methyl-, (R)-

4-02-00-00895 (Beilstein Handbook Reference)

InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7

The Henry's Law constant for isovaleric acid was measured as 8.33X10-7 atm-cu m/mole(1). This value indicates that isovaleric acid will volatilize slowly from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 45 days(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 330 days(2,SRC). In addition, a pKa of 4.78 for isovaleric acid(3) indicates that isovaleric acid will not significantly volatilize from water as it will exist predominately in the ionic form under environmental pHs(SRC). Isovaleric acid's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Isovaleric acid is not expected to volatilize from dry soil surfaces(SRC) based on a measured vapor pressure of 0.44 mm Hg(4).
Literature: (1) Khan I, Brimblecombe P; J Aerosol Sci 23: S897-S900 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Leung HW, Paustenbach DJ; Am J Ind Med 18: 714-23 (1990) (4) Yaws CL; Handbook of Vapor Pressure, Vol 2 C5 to C7 Compounds, Houston,TX: Gulf Publ Co. p. 387 (1994)

The Koc of isovaleric acid is estimated as approximately 100(SRC), using a measured log Kow of 1.16(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that isovaleric acid is expected to have high mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc p. 14 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)